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1,4-Dihydro-6-nitro-2H-3,1-benzoxazin-2-one

1,4-Dihydro-6-nitro-2H-3,1-benzoxazin-2-one structure

CAS No:
94107-60-5
Formula:
C8H6N2O4
Chemical Name:
1,4-Dihydro-6-nitro-2H-3,1-benzoxazin-2-one
Synonyms:
2H-3,1-Benzoxazin-2-one,1,4-dihydro-6-nitro-;1,4-Dihydro-6-nitro-2H-3,1-benzoxazin-2-one

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1,4-Dihydro-6-nitro-2H-3,1-benzoxazin-2-one Basic Attributes

Molecular Weight：

194.14

Exact Mass：

194.14

EC Number：

302-293-3

UNII：

XBN9R475JU

DSSTox ID：

DTXSID70240537

Characteristics

PSA：

84.15000

XLogP3：

2.31810

Density：

1.474±0.06 g/cm3

Boiling Point：

297.1±40.0 °C(Predicted)

Flash Point：

133.5ºC

Refractive Index：

1.606

PKA：

12.10±0.20

Computed Properties

Molecular Weight:194.14
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:194.03275668
Monoisotopic Mass:194.03275668
Topological Polar Surface Area:84.2
Heavy Atom Count:14
Complexity:263
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4-Dihydro-6-nitro-2H-3,1-benzoxazin-2-one

Basic Attributes
Characteristics
Computed Properties

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